N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide

C12H21NO2S — CID 115362677

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1CCSC1
InChIInChI=1S/C12H21NO2S/c14-9-12(4-1-2-5-12)8-13-11(15)10-3-6-16-7-10/h10,14H,1-9H2,(H,13,15)
InChIKeyOXOPGBYJVLGBLX-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.41
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide (PubChem CID 115362677) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
PubChem CID115362677
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
SMILESO=C(NCC1(CO)CCCC1)C1CCSC1
InChIInChI=1S/C12H21NO2S/c14-9-12(4-1-2-5-12)8-13-11(15)10-3-6-16-7-10/h10,14H,1-9H2,(H,13,15)
InChIKeyOXOPGBYJVLGBLX-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]thiolane-3-carboxamide
CID 103969362
1-[(thiolane-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115432922
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide
CID 113359665
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-[[1-(hydroxymethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 113294474
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
N-[[1-(hydroxymethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 115455350
2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid
CID 79457787
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide (CID 115362677) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide is O=C(NCC1(CO)CCCC1)C1CCSC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide?
The InChIKey is OXOPGBYJVLGBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-9-12(4-1-2-5-12)8-13-11(15)10-3-6-16-7-10/h10,14H,1-9H2,(H,13,15).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide has a molecular weight of 243.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide is sourced from PubChem (CID 115362677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).